N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide

C21H27N3O2 — CID 50958809

IUPACN-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cnc3ccccc3n2)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C21H27N3O2/c1-14(25)23-16-11-20(15-7-3-2-4-8-15)26-21(12-16)19-13-22-17-9-5-6-10-18(17)24-19/h5-6,9-10,13,15-16,20-21H,2-4,7-8,11-12H2,1H3,(H,23,25)/t16-,20-,21+/m1/s1
InChIKeyQYDODFFXQKNOKC-HBGVWJBISA-N
MW353.47 g/mol
LogP3.93
Rot. Bonds3

About N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide

N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide (PubChem CID 50958809) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide
PubChem CID50958809
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cnc3ccccc3n2)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C21H27N3O2/c1-14(25)23-16-11-20(15-7-3-2-4-8-15)26-21(12-16)19-13-22-17-9-5-6-10-18(17)24-19/h5-6,9-10,13,15-16,20-21H,2-4,7-8,11-12H2,1H3,(H,23,25)/t16-,20-,21+/m1/s1
InChIKeyQYDODFFXQKNOKC-HBGVWJBISA-N
XLogP3.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,4S,6R)-2-cyclohexyl-6-quinolin-3-yloxan-4-yl]acetamide
CID 133120117
N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide
CID 50972806
N-[(2R,4R,6S)-2-cyclohexyl-6-[4-(1,2,4-triazol-1-yl)phenyl]oxan-4-yl]acetamide
CID 50979481
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)quinoxaline-2-carboxamide
CID 45352272
N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
N-cyclohexyl-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide
CID 91830643
N-[(1R,3R)-3-phenylcyclohexyl]acetamide
CID 102139469
1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone
CID 43791022
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide
CID 25487919
N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide
CID 55595762
N-(4-cyclooctylcycloheptyl)acetamide
CID 170008813
2-(1,3-dioxolan-4-yl)quinoxaline
CID 13494441

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide (CID 50958809) is N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](c2cnc3ccccc3n2)O[C@@H](C2CCCCC2)C1.
What is the InChIKey of N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide?
The InChIKey is QYDODFFXQKNOKC-HBGVWJBISA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(25)23-16-11-20(15-7-3-2-4-8-15)26-21(12-16)19-13-22-17-9-5-6-10-18(17)24-19/h5-6,9-10,13,15-16,20-21H,2-4,7-8,11-12H2,1H3,(H,23,25)/t16-,20-,21+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide?
N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,6S)-2-cyclohexyl-6-quinoxalin-2-yloxan-4-yl]acetamide is sourced from PubChem (CID 50958809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).